2-[2-(3,5-dimethoxyphenyl)sulfanyl-4-iodanyl-phenyl]ethanenitrile

Systemtic Name: 2-[2-(3,5-dimethoxyphenyl)sulfanyl-4-iodanyl-phenyl]ethanenitrile Openeye Name: 2-[2-(3,5-dimethoxyphenyl)sulfanyl-4-iodo-phenyl]acetonitrile CAS Name: 2-[2-[(3,5-dimethoxyphenyl)thio]-4-iodophenyl]acetonitrile IUPAC Name: 2-[2-(3,5-dimethoxyphenyl)sulfanyl-4-iodophenyl]acetonitrile Traditional Name: 2-[2-[(3,5-dimethoxyphenyl)thio]-4-iodo-phenyl]acetonitrile Formula: C16H14INO2S MolecularWeight: 411.25733

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)SC2=C(C=CC(=C2)I)CC#N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)SC2=C(C=CC(=C2)I)CC#N)OC

InChI

InChI=1S/C16H14INO2S/c1-19-13-8-14(20-2)10-15(9-13)21-16-7-12(17)4-3-11(16)5-6-18/h3-4,7-10H,5H2,1-2H3